#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d41 n GLY -7 N 0.00 3.11 3.69 0.23 0.00 -1.26 -5.14 105.19 105.82 3d41 n GLY -7 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3d41 n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d41 s LEU -6 N 0.00 4.27 -0.23 0.99 2.96 -1.26 -5.03 118.68 120.38 3d41 s LEU -6 Ca 0.10 1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.83 3d41 s LEU -6 Cb -0.00 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.15 3d41 s LEU -6 CO 0.07 -0.62 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.73 3d41 s VAL -5 N 2.35 2.99 0.27 1.68 1.01 -1.26 -5.10 120.40 122.34 3d41 s VAL -5 Ca 0.57 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3d41 s VAL -5 Cb -0.25 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 3d41 s VAL -5 CO 0.22 0.30 1.17 -2.16 0.00 0.00 0.00 175.10 174.63 3d41 s PRO -4 N 1.38 4.54 -0.00 2.72 0.04 -1.26 -5.02 135.00 137.39 3d41 s PRO -4 Ca 0.03 1.91 0.02 0.00 0.04 0.00 0.00 61.00 62.99 3d41 s PRO -4 Cb -0.16 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 3d41 s PRO -4 CO -0.05 0.05 -0.05 1.03 0.04 0.00 0.00 177.00 178.03 3d41 s ARG -3 N -1.24 0.40 0.00 4.56 0.52 -1.26 -4.89 118.95 117.03 3d41 s ARG -3 Ca 0.47 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 3d41 s ARG -3 Cb -0.34 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 34.75 3d41 s ARG -3 CO 0.43 0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3d41 n GLY -2 N 2.93 1.20 0.10 -3.53 0.00 -1.26 -4.95 105.19 99.67 3d41 n GLY -2 Ca -0.13 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.03 3d41 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d41 n SER -1 N 0.00 0.46 0.07 1.61 3.41 -1.26 -1.38 113.62 116.53 3d41 n SER -1 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3d41 n SER -1 Cb 0.00 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 3d41 n SER -1 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3d41 h HIS 0 N 0.00 0.00 -4.02 7.33 2.07 -1.94 -0.80 115.15 117.79 3d41 h HIS 0 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3d41 h HIS 0 Cb 0.27 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.27 3d41 h HIS 0 CO 0.00 0.60 0.28 -1.64 -3.07 0.00 0.00 177.93 174.10 3d41 s MET 1 N -2.91 3.80 -0.20 5.12 1.00 -0.48 -4.68 119.30 120.95 3d41 s MET 1 Ca -0.00 0.71 -0.11 0.00 0.00 0.00 0.00 55.69 56.29 3d41 s MET 1 Cb 0.08 -2.22 -0.05 0.00 0.00 0.00 0.00 34.83 32.64 3d41 s MET 1 CO 0.79 -0.25 0.15 0.99 0.00 0.00 0.00 175.02 176.70 3d41 s THR 2 N -2.66 5.39 0.54 2.05 2.01 -1.26 -4.22 115.64 117.49 3d41 s THR 2 Ca 0.55 0.23 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 3d41 s THR 2 Cb -0.10 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 3d41 s THR 2 CO 0.37 0.42 1.18 -2.16 -0.69 0.00 0.00 174.62 173.74 3d41 s PRO 3 N 0.45 3.34 0.05 4.92 0.04 -1.26 -4.88 135.00 137.66 3d41 s PRO 3 Ca 0.09 1.76 0.22 0.00 0.04 0.00 0.00 61.00 63.12 3d41 s PRO 3 Cb -0.11 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3d41 s PRO 3 CO -0.01 -0.90 0.87 -0.25 0.04 0.00 0.00 177.00 176.76 3d41 n ASP 4 N -1.15 0.52 -3.77 6.66 8.00 0.47 -4.93 116.55 122.35 3d41 n ASP 4 Ca 0.11 -0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 3d41 n ASP 4 Cb 0.49 1.08 -0.13 0.00 -0.02 0.00 0.00 41.12 42.54 3d41 n ASP 4 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3d41 s PHE 5 N -3.29 -0.24 -0.25 1.24 5.36 -0.38 -4.85 117.98 115.56 3d41 s PHE 5 Ca 0.00 0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 56.53 3d41 s PHE 5 Cb 0.14 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 3d41 s PHE 5 CO 0.83 -0.16 0.01 -0.51 -1.46 0.00 0.00 175.22 173.93 3d41 s LEU 6 N 0.70 3.31 -0.39 6.12 1.43 -0.58 -0.90 118.68 128.37 3d41 s LEU 6 Ca -0.05 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 3d41 s LEU 6 Cb -0.06 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3d41 s LEU 6 CO -0.04 -0.09 0.21 0.00 0.23 0.00 0.00 176.35 176.66 3d41 s ALA 7 N 1.48 3.26 -0.21 4.21 0.00 -0.55 -1.46 121.76 128.48 3d41 s ALA 7 Ca 0.04 -1.85 -0.07 0.00 0.00 0.00 0.00 51.96 50.08 3d41 s ALA 7 Cb -0.16 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3d41 s ALA 7 CO -0.01 -1.47 0.05 0.42 0.00 0.00 0.00 175.76 174.75 3d41 s ILE 8 N 1.50 4.35 -0.15 0.00 -1.09 -0.86 -1.55 121.20 123.40 3d41 s ILE 8 Ca 0.02 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 3d41 s ILE 8 Cb -0.20 -2.99 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 3d41 s ILE 8 CO 0.05 0.40 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.26 3d41 s LYS 9 N 1.05 3.23 -0.18 2.79 2.36 0.40 0.21 119.74 129.62 3d41 s LYS 9 Ca 0.03 -0.74 -0.03 0.00 -2.55 0.00 0.00 55.97 52.68 3d41 s LYS 9 Cb -0.14 -2.62 -0.02 0.00 -1.05 0.00 0.00 37.83 34.00 3d41 s LYS 9 CO 0.03 0.04 -0.06 0.54 1.55 0.00 0.00 175.35 177.45 3d41 s VAL 10 N 0.76 3.53 0.35 4.02 0.11 -0.15 0.93 120.40 129.96 3d41 s VAL 10 Ca -0.06 -0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 3d41 s VAL 10 Cb -0.15 -2.56 -0.11 0.00 -1.53 0.00 0.00 36.38 32.03 3d41 s VAL 10 CO 0.01 0.47 1.47 -0.83 -3.33 0.00 0.00 175.10 172.89 3d41 s GLY 11 N 0.79 2.83 0.14 6.54 0.00 -0.32 -0.15 107.32 117.15 3d41 s GLY 11 Ca -0.02 1.51 -0.22 0.00 0.00 0.00 0.00 44.72 45.99 3d41 s GLY 11 CO 0.02 2.24 1.65 -1.33 0.00 0.00 0.00 173.10 175.68 3d41 h GLY 12 N 3.36 -0.13 -0.39 0.20 0.00 -1.91 -2.83 103.07 101.36 3d41 h GLY 12 Ca -0.50 0.24 0.26 0.00 0.00 0.00 0.00 47.33 47.33 3d41 h GLY 12 CO 0.67 -0.18 0.95 1.48 0.00 0.00 0.00 176.54 179.45 3d41 h SER 13 N -0.23 0.00 1.02 0.19 4.64 -1.93 0.24 113.55 117.48 3d41 h SER 13 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3d41 h SER 13 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3d41 h SER 13 CO -0.29 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.85 3d41 n LEU 14 N -3.51 0.38 0.00 5.97 4.77 -1.07 -4.15 117.00 119.39 3d41 n LEU 14 Ca 0.20 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 3d41 n LEU 14 Cb 1.24 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3d41 n LEU 14 CO 0.27 -0.20 0.00 2.22 -1.33 0.00 0.00 177.39 178.35 3d41 n PHE 15 N -1.88 0.00 -3.76 -1.77 1.16 0.61 -4.94 117.46 106.88 3d41 n PHE 15 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 3d41 n PHE 15 Cb 0.32 0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.07 3d41 n PHE 15 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3d41 s SER 16 N 0.00 -0.25 -0.57 5.98 0.15 0.13 0.49 113.70 119.63 3d41 s SER 16 Ca 0.00 0.49 -0.22 0.00 0.70 0.00 0.00 55.95 56.92 3d41 s SER 16 Cb 0.00 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3d41 s SER 16 CO 0.00 -0.12 0.83 -0.13 1.20 0.00 0.00 173.24 175.01 3d41 s ARG 17 N 0.67 3.17 0.20 5.44 1.81 -1.26 -3.89 118.95 125.08 3d41 s ARG 17 Ca -0.04 -0.75 -0.08 0.00 -1.72 0.00 0.00 55.73 53.14 3d41 s ARG 17 Cb -0.06 -4.14 0.29 0.00 -0.45 0.00 0.00 34.95 30.59 3d41 s ARG 17 CO -0.04 -1.51 1.14 1.63 -0.68 0.00 0.00 175.30 175.84 3d41 n LYS 18 N 7.01 -0.10 -0.49 3.54 5.02 -1.26 -0.44 118.16 131.45 3d41 n LYS 18 Ca -0.04 1.14 0.02 0.00 -2.02 0.00 0.00 58.31 57.41 3d41 n LYS 18 Cb 0.46 -1.70 0.20 0.00 -0.02 0.00 0.00 35.03 33.97 3d41 n LYS 18 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3d41 n ASP 19 N -5.16 3.47 -3.81 4.39 5.75 -1.26 -4.40 116.55 115.54 3d41 n ASP 19 Ca 0.11 -2.52 -0.30 0.00 -0.01 0.00 0.00 54.79 52.07 3d41 n ASP 19 Cb 0.35 -0.61 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 3d41 n ASP 19 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3d41 s GLU 20 N -1.90 0.94 0.22 0.11 2.02 0.42 -5.11 118.70 115.40 3d41 s GLU 20 Ca 0.29 -1.14 -0.32 0.00 0.02 0.00 0.00 54.97 53.82 3d41 s GLU 20 Cb 0.22 -2.27 -0.12 0.00 0.10 0.00 0.00 34.13 32.06 3d41 s GLU 20 CO 0.08 -0.90 1.68 -2.30 0.02 0.00 0.00 175.26 173.84 3d41 n PRO 21 N 4.75 2.70 -0.97 0.39 -0.02 -1.26 -2.30 135.00 138.28 3d41 n PRO 21 Ca -0.03 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3d41 n PRO 21 Cb 0.43 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3d41 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d41 n GLY 22 N 3.55 0.77 3.76 -1.23 0.00 -1.26 -5.01 105.19 105.77 3d41 n GLY 22 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3d41 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d41 s SER 23 N -2.53 7.54 -0.19 1.61 1.04 -0.97 -5.03 113.70 115.16 3d41 s SER 23 Ca 0.00 1.88 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 3d41 s SER 23 Cb 0.00 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.62 3d41 s SER 23 CO 0.00 0.11 0.39 -0.22 0.98 0.00 0.00 173.24 174.50 3d41 s LEU 24 N -1.40 -0.59 -0.72 2.42 2.96 -1.26 -4.29 118.68 115.80 3d41 s LEU 24 Ca 0.43 0.84 -0.27 0.00 -0.22 0.00 0.00 54.13 54.91 3d41 s LEU 24 Cb -0.24 1.22 0.03 0.00 0.50 0.00 0.00 46.19 47.70 3d41 s LEU 24 CO 0.29 -0.24 1.27 -0.62 -1.32 0.00 0.00 176.35 175.73 3d41 s ASP 25 N 2.58 6.19 0.10 3.68 2.15 0.18 -4.87 116.67 126.68 3d41 s ASP 25 Ca 0.00 -0.39 -0.17 0.00 0.43 0.00 0.00 52.55 52.42 3d41 s ASP 25 Cb -0.12 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 3d41 s ASP 25 CO -0.12 -1.79 1.59 -0.78 -0.17 0.00 0.00 175.17 173.89 3d41 h ASP 26 N 9.97 0.48 -0.73 -0.34 3.58 -1.99 -0.76 116.42 126.62 3d41 h ASP 26 Ca -0.28 -0.25 0.14 0.00 0.42 0.00 0.00 57.03 57.06 3d41 h ASP 26 Cb 1.05 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.88 3d41 h ASP 26 CO 1.27 0.60 0.27 -0.78 -2.88 0.00 0.00 179.24 177.72 3d41 h ASP 27 N 0.33 0.23 -0.28 2.28 -0.00 -1.99 0.39 116.42 117.38 3d41 h ASP 27 Ca 0.09 0.11 -0.09 0.00 -0.00 0.00 0.00 57.03 57.14 3d41 h ASP 27 Cb 0.32 0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.75 3d41 h ASP 27 CO 0.00 0.08 -0.18 0.00 -0.00 0.00 0.00 179.24 179.15 3d41 h ALA 28 N 1.54 0.40 0.04 -0.78 0.00 -1.80 -2.19 119.26 116.48 3d41 h ALA 28 Ca 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d41 h ALA 28 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3d41 h ALA 28 CO -0.41 0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.40 3d41 h VAL 29 N 0.36 0.90 -0.78 0.00 2.07 -0.41 0.07 116.25 118.46 3d41 h VAL 29 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 3d41 h VAL 29 Cb 0.71 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 3d41 h VAL 29 CO 0.05 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.74 3d41 h THR 30 N -0.09 0.72 0.11 2.57 2.02 -0.17 0.27 112.91 118.34 3d41 h THR 30 Ca 0.01 -0.19 -0.27 0.00 0.77 0.00 0.00 66.41 66.73 3d41 h THR 30 Cb 0.10 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3d41 h THR 30 CO -0.02 0.10 -1.29 0.03 0.37 0.00 0.00 175.52 174.71 3d41 h ARG 31 N 0.55 0.22 0.08 6.66 3.08 -1.11 -2.18 114.38 121.67 3d41 h ARG 31 Ca 0.42 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3d41 h ARG 31 Cb 0.59 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3d41 h ARG 31 CO -0.36 1.15 -0.04 0.74 -1.07 0.00 0.00 179.97 180.39 3d41 h PHE 32 N 0.06 -0.10 -0.98 3.04 0.05 -0.59 -2.99 116.94 115.44 3d41 h PHE 32 Ca -0.15 -0.00 0.26 0.00 3.82 0.00 0.00 57.97 61.90 3d41 h PHE 32 Cb 1.96 0.03 -0.13 0.00 2.00 0.00 0.00 35.95 39.81 3d41 h PHE 32 CO 0.05 0.31 0.54 0.00 -0.18 0.00 0.00 178.31 179.03 3d41 h ALA 33 N 0.34 1.76 -0.23 2.45 0.00 -0.50 0.21 119.26 123.31 3d41 h ALA 33 Ca -0.01 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3d41 h ALA 33 Cb 0.45 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3d41 h ALA 33 CO 0.02 -0.38 -0.30 -0.09 0.00 0.00 0.00 179.25 178.50 3d41 h ARG 34 N 0.46 0.46 0.06 0.00 2.43 -1.31 -0.98 114.38 115.50 3d41 h ARG 34 Ca 0.66 -0.19 -0.24 0.00 -0.81 0.00 0.00 59.98 59.40 3d41 h ARG 34 Cb 1.33 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3d41 h ARG 34 CO -0.53 0.71 -1.07 -0.91 -1.51 0.00 0.00 179.97 176.66 3d41 h ASN 35 N 0.40 0.37 0.25 -3.80 2.35 -0.78 -3.24 115.58 111.13 3d41 h ASN 35 Ca 0.05 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 3d41 h ASN 35 Cb 0.73 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3d41 h ASN 35 CO 0.06 1.21 -0.42 -0.26 -1.65 0.00 0.00 177.43 176.37 3d41 h PHE 36 N 0.11 0.26 -0.10 1.19 0.05 -0.42 -3.14 116.94 114.89 3d41 h PHE 36 Ca -0.09 -0.07 -0.07 0.00 3.82 0.00 0.00 57.97 61.56 3d41 h PHE 36 Cb 1.76 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 39.64 3d41 h PHE 36 CO 0.05 0.61 -0.25 0.00 -0.18 0.00 0.00 178.31 178.54 3d41 h ALA 37 N 1.38 1.41 -0.08 2.45 0.00 -1.20 0.16 119.26 123.37 3d41 h ALA 37 Ca 0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 3d41 h ALA 37 Cb 0.82 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3d41 h ALA 37 CO 0.06 0.42 -0.86 0.00 0.00 0.00 0.00 179.25 178.87 3d41 h ARG 38 N 0.15 0.64 -0.61 0.00 3.08 -1.60 -2.39 114.38 113.66 3d41 h ARG 38 Ca 0.03 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.45 3d41 h ARG 38 Cb 0.53 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3d41 h ARG 38 CO 0.04 1.20 0.25 -0.07 -1.07 0.00 0.00 179.97 180.31 3d41 h LEU 39 N 0.41 0.84 -1.87 3.04 3.38 -1.42 -3.09 115.31 116.59 3d41 h LEU 39 Ca -0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3d41 h LEU 39 Cb 1.49 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3d41 h LEU 39 CO 0.17 0.78 -0.13 0.00 0.09 0.00 0.00 178.44 179.34 3d41 h ALA 40 N 1.10 1.50 0.14 1.53 0.00 -0.50 0.12 119.26 123.14 3d41 h ALA 40 Ca 0.20 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 3d41 h ALA 40 Cb 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d41 h ALA 40 CO -0.02 0.16 -1.26 1.49 0.00 0.00 0.00 179.25 179.63 3d41 h GLU 41 N 0.00 0.47 -0.12 0.00 4.57 -1.40 -2.96 114.58 115.13 3d41 h GLU 41 Ca -0.00 -0.69 -0.05 0.00 -1.18 0.00 0.00 59.36 57.44 3d41 h GLU 41 Cb 0.28 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3d41 h GLU 41 CO 0.02 1.31 -0.12 1.15 -1.18 0.00 0.00 179.01 180.18 3d41 h THR 42 N 0.18 1.35 -2.19 0.32 2.02 -1.31 -3.31 112.91 109.96 3d41 h THR 42 Ca -0.17 -1.27 -0.79 0.00 0.77 0.00 0.00 66.41 64.95 3d41 h THR 42 Cb 1.95 1.91 -0.28 0.00 -1.74 0.00 0.00 68.15 69.99 3d41 h THR 42 CO 0.23 0.37 0.94 -1.22 0.37 0.00 0.00 175.52 176.21 3d41 n TYR 43 N -4.60 2.88 -2.57 3.16 4.02 0.35 -4.99 117.16 115.41 3d41 n TYR 43 Ca -0.06 -2.59 -0.43 0.00 -0.01 0.00 0.00 57.90 54.81 3d41 n TYR 43 Cb 0.34 -1.15 -0.02 0.00 -0.02 0.00 0.00 39.34 38.49 3d41 n TYR 43 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3d41 s ARG 44 N -4.24 4.16 -0.19 -0.72 3.52 -1.12 -1.83 118.95 118.54 3d41 s ARG 44 Ca 0.42 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 3d41 s ARG 44 Cb 0.25 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3d41 s ARG 44 CO -0.19 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 3d41 n GLY 45 N 3.65 0.52 1.45 8.12 0.00 -1.26 -4.85 105.19 112.82 3d41 n GLY 45 Ca 0.13 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3d41 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d41 n ARG 46 N -2.42 0.07 -3.73 1.61 1.74 -0.76 -4.65 116.66 108.52 3d41 n ARG 46 Ca -0.02 -2.04 -0.14 0.00 -0.77 0.00 0.00 57.85 54.88 3d41 n ARG 46 Cb 0.12 -0.08 -0.09 0.00 -1.02 0.00 0.00 32.46 31.39 3d41 n ARG 46 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3d41 s MET 47 N -0.14 0.59 0.02 5.56 1.75 -1.15 -1.53 119.30 124.40 3d41 s MET 47 Ca 0.34 0.23 0.06 0.00 -1.25 0.00 0.00 55.69 55.07 3d41 s MET 47 Cb 0.38 0.28 -0.02 0.00 2.84 0.00 0.00 34.83 38.31 3d41 s MET 47 CO -0.16 -0.13 -0.17 0.14 -0.65 0.00 0.00 175.02 174.05 3d41 s VAL 48 N -0.51 1.38 -0.21 10.11 -7.23 -0.53 -4.30 120.40 119.11 3d41 s VAL 48 Ca -0.06 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 3d41 s VAL 48 Cb -0.04 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 3d41 s VAL 48 CO 0.03 0.21 0.09 -0.22 -0.31 0.00 0.00 175.10 174.90 3d41 s LEU 49 N -0.87 3.82 -0.23 1.32 2.96 -0.84 -2.03 118.68 122.80 3d41 s LEU 49 Ca 0.05 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3d41 s LEU 49 Cb -0.08 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3d41 s LEU 49 CO 0.01 0.11 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 3d41 s ILE 50 N 0.75 2.80 -0.04 6.68 1.01 0.13 0.11 121.20 132.64 3d41 s ILE 50 Ca 0.05 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 3d41 s ILE 50 Cb -0.13 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3d41 s ILE 50 CO 0.02 0.32 0.49 -0.55 0.00 0.00 0.00 174.94 175.21 3d41 s SER 51 N 1.35 6.82 0.89 3.58 0.15 -0.52 -0.98 113.70 124.99 3d41 s SER 51 Ca 0.02 0.98 -0.10 0.00 0.70 0.00 0.00 55.95 57.55 3d41 s SER 51 Cb -0.15 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 3d41 s SER 51 CO -0.06 0.15 1.13 -0.83 1.20 0.00 0.00 173.24 174.83 3d41 s GLY 52 N -0.26 1.68 0.03 9.45 0.00 0.78 -4.05 107.32 114.96 3d41 s GLY 52 Ca 0.26 0.50 0.16 0.00 0.00 0.00 0.00 44.72 45.64 3d41 s GLY 52 CO 0.13 0.91 0.77 0.61 0.00 0.00 0.00 173.10 175.52 3d41 n GLY 53 N -0.11 -1.14 7.00 0.20 0.00 -1.26 -4.51 105.19 105.37 3d41 n GLY 53 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3d41 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d41 n GLY 54 N 1.44 1.42 0.28 -0.02 0.00 -1.26 -1.61 105.19 105.45 3d41 n GLY 54 Ca -0.12 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.43 3d41 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d41 h ALA 55 N -0.93 1.07 0.33 4.61 0.00 -1.77 -1.76 119.26 120.81 3d41 h ALA 55 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3d41 h ALA 55 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d41 h ALA 55 CO 0.00 -0.32 -0.27 0.74 0.00 0.00 0.00 179.25 179.40 3d41 h PHE 56 N 0.32 -0.74 0.01 0.00 -1.00 -1.84 0.13 116.94 113.82 3d41 h PHE 56 Ca 0.45 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.23 3d41 h PHE 56 Cb 0.78 0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.62 3d41 h PHE 56 CO -0.23 -0.38 -0.00 0.78 -1.61 0.00 0.00 178.31 176.87 3d41 h GLY 57 N -0.59 -0.01 1.49 -1.45 0.00 -1.17 -0.03 103.07 101.32 3d41 h GLY 57 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3d41 h GLY 57 CO 0.00 -0.00 0.07 0.45 0.00 0.00 0.00 176.54 177.06 3d41 h HIS 58 N -0.27 0.66 -0.10 5.60 3.86 -1.46 -2.92 115.15 120.52 3d41 h HIS 58 Ca -0.00 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3d41 h HIS 58 Cb 0.27 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3d41 h HIS 58 CO 0.01 0.58 0.06 0.78 0.86 0.00 0.00 177.93 180.23 3d41 h GLY 59 N 0.87 0.14 2.00 2.45 0.00 -0.48 -2.07 103.07 105.98 3d41 h GLY 59 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3d41 h GLY 59 CO 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 176.54 176.52 3d41 h ALA 60 N 0.99 1.01 0.16 3.60 0.00 -0.93 -2.40 119.26 121.68 3d41 h ALA 60 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3d41 h ALA 60 Cb 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.83 3d41 h ALA 60 CO -0.01 0.10 -0.90 0.82 0.00 0.00 0.00 179.25 179.26 3d41 h ILE 61 N 0.00 1.48 -1.00 0.00 2.04 -1.52 -3.22 117.51 115.29 3d41 h ILE 61 Ca -0.00 -2.56 0.18 0.00 1.00 0.00 0.00 64.86 63.49 3d41 h ILE 61 Cb 0.64 3.18 -0.10 0.00 -0.74 0.00 0.00 36.82 39.80 3d41 h ILE 61 CO 0.01 0.73 0.61 -0.09 0.00 0.00 0.00 178.15 179.41 3d41 h ARG 62 N -0.31 0.76 0.00 2.37 2.43 -1.04 -3.12 114.38 115.46 3d41 h ARG 62 Ca -0.16 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.77 3d41 h ARG 62 Cb 1.71 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.05 3d41 h ARG 62 CO 0.17 0.50 -1.78 -0.25 -1.51 0.00 0.00 179.97 177.10 3d41 n ASP 63 N -4.75 0.50 -4.71 -3.80 8.00 -0.93 -4.92 116.55 105.94 3d41 n ASP 63 Ca 0.23 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 3d41 n ASP 63 Cb 0.56 0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 42.30 3d41 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d41 n HIS 64 N -2.76 2.51 -2.13 1.24 1.44 -1.18 -4.93 115.22 109.40 3d41 n HIS 64 Ca -0.15 0.43 -0.42 0.00 -2.01 0.00 0.00 57.72 55.57 3d41 n HIS 64 Cb 0.89 -2.49 -0.03 0.00 0.12 0.00 0.00 29.99 28.48 3d41 n HIS 64 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3d41 s ASP 65 N 0.09 6.78 0.28 4.39 2.15 -1.26 -4.92 116.67 124.18 3d41 s ASP 65 Ca 0.61 2.38 0.26 0.00 0.43 0.00 0.00 52.55 56.22 3d41 s ASP 65 Cb -0.56 -2.59 0.84 0.00 -0.30 0.00 0.00 42.92 40.32 3d41 s ASP 65 CO 0.56 -0.68 1.75 0.28 -0.17 0.00 0.00 175.17 176.91 3d41 h SER 66 N 6.76 0.00 1.47 -0.34 0.02 -1.96 -3.32 113.55 116.17 3d41 h SER 66 Ca -0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3d41 h SER 66 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 3d41 h SER 66 CO 0.87 0.00 -0.54 0.71 -1.14 0.00 0.00 176.83 176.73 3d41 h THR 67 N 0.00 0.14 -3.66 -2.27 1.35 -2.03 -3.38 112.91 103.06 3d41 h THR 67 Ca 0.00 -1.23 -0.69 0.00 -0.55 0.00 0.00 66.41 63.94 3d41 h THR 67 Cb 0.65 1.87 -0.31 0.00 -1.73 0.00 0.00 68.15 68.63 3d41 h THR 67 CO 0.00 0.08 -0.62 -1.00 -0.25 0.00 0.00 175.52 173.73 3d41 s HIS 68 N -3.21 3.32 0.55 4.73 3.76 -1.25 -4.98 115.29 118.22 3d41 s HIS 68 Ca 0.03 -1.79 0.28 0.00 -0.15 0.00 0.00 55.06 53.43 3d41 s HIS 68 Cb 0.07 -2.43 1.46 0.00 1.11 0.00 0.00 32.58 32.79 3d41 s HIS 68 CO 0.73 -0.81 1.94 0.00 -0.85 0.00 0.00 174.74 175.76 3d41 h ALA 69 N 8.11 2.48 0.00 -1.40 0.00 -1.82 -2.45 119.26 124.19 3d41 h ALA 69 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3d41 h ALA 69 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3d41 h ALA 69 CO 0.60 -0.79 0.00 0.34 0.00 0.00 0.00 179.25 179.41 3d41 n PHE 70 N -4.14 0.82 0.08 0.00 7.35 -1.26 -2.81 117.46 117.50 3d41 n PHE 70 Ca 0.12 0.29 0.05 0.00 -0.76 0.00 0.00 57.45 57.14 3d41 n PHE 70 Cb 0.71 -0.97 0.47 0.00 0.35 0.00 0.00 39.48 40.04 3d41 n PHE 70 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3d41 h SER 71 N 0.00 0.32 0.00 -2.13 4.64 -1.70 -1.82 113.55 112.85 3d41 h SER 71 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3d41 h SER 71 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3d41 h SER 71 CO 0.00 0.26 0.33 0.18 -0.87 0.00 0.00 176.83 176.73 3d41 n LEU 72 N -4.46 0.12 0.24 5.97 4.77 -1.12 -2.45 117.00 120.06 3d41 n LEU 72 Ca 0.01 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 3d41 n LEU 72 Cb 0.10 -0.30 0.58 0.00 -2.33 0.00 0.00 43.42 41.47 3d41 n LEU 72 CO 0.35 -0.39 0.94 0.00 -1.33 0.00 0.00 177.39 176.97 3d41 h ALA 73 N 0.92 1.62 -1.01 -1.18 0.00 -1.58 0.30 119.26 118.33 3d41 h ALA 73 Ca 0.00 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.02 3d41 h ALA 73 Cb 0.66 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 3d41 h ALA 73 CO 0.00 0.18 0.65 0.78 0.00 0.00 0.00 179.25 180.87 3d41 h GLY 74 N 0.53 1.16 1.49 0.00 0.00 -1.74 -1.93 103.07 102.58 3d41 h GLY 74 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.17 3d41 h GLY 74 CO 0.02 -0.10 0.23 -2.00 0.00 0.00 0.00 176.54 174.69 3d41 h LEU 75 N 0.42 0.21 -0.59 3.11 5.85 -1.18 -0.49 115.31 122.64 3d41 h LEU 75 Ca 0.56 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 59.14 3d41 h LEU 75 Cb 1.39 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3d41 h LEU 75 CO -0.27 0.14 -0.47 0.00 -0.34 0.00 0.00 178.44 177.50 3d41 h THR 76 N 0.24 1.31 -0.10 1.05 1.03 -1.49 -0.77 112.91 114.18 3d41 h THR 76 Ca 0.15 -1.67 -0.19 0.00 -0.01 0.00 0.00 66.41 64.69 3d41 h THR 76 Cb 0.28 1.65 -0.00 0.00 -1.07 0.00 0.00 68.15 69.01 3d41 h THR 76 CO -0.03 0.53 -0.71 -0.33 -0.01 0.00 0.00 175.52 174.97 3d41 h GLU 77 N 0.46 0.49 0.01 0.00 5.08 -1.46 -2.30 114.58 116.86 3d41 h GLU 77 Ca 0.03 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3d41 h GLU 77 Cb 0.99 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3d41 h GLU 77 CO 0.09 1.01 -0.00 0.00 -1.00 0.00 0.00 179.01 179.11 3d41 h ALA 78 N 0.88 -0.01 0.00 3.43 0.00 -0.96 -2.81 119.26 119.79 3d41 h ALA 78 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3d41 h ALA 78 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3d41 h ALA 78 CO 0.13 -0.40 -0.24 1.79 0.00 0.00 0.00 179.25 180.53 3d41 h THR 79 N -0.23 0.45 -0.84 0.00 1.35 -1.22 -2.89 112.91 109.53 3d41 h THR 79 Ca -0.00 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.41 3d41 h THR 79 Cb 0.22 2.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.66 3d41 h THR 79 CO 0.00 0.23 0.44 0.15 -0.25 0.00 0.00 175.52 176.10 3d41 h PHE 80 N 0.00 1.17 -0.59 4.73 3.57 -1.42 -2.46 116.94 121.94 3d41 h PHE 80 Ca -0.00 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.58 3d41 h PHE 80 Cb 1.04 -0.37 -0.11 0.00 2.79 0.00 0.00 35.95 39.30 3d41 h PHE 80 CO 0.00 0.83 -0.09 1.49 -2.23 0.00 0.00 178.31 178.31 3d41 h GLU 81 N 1.18 0.04 -0.42 1.11 4.57 -1.27 -0.60 114.58 119.19 3d41 h GLU 81 Ca 0.29 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.38 3d41 h GLU 81 Cb 0.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3d41 h GLU 81 CO -0.04 0.03 -0.10 -0.39 -1.18 0.00 0.00 179.01 177.32 3d41 h VAL 82 N 0.04 1.25 -0.61 0.32 -1.51 -1.55 -2.67 116.25 111.53 3d41 h VAL 82 Ca 0.29 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.61 3d41 h VAL 82 Cb 0.46 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 3d41 h VAL 82 CO -0.57 0.39 0.33 0.11 -1.23 0.00 0.00 177.57 176.60 3d41 h LYS 83 N 0.68 0.85 -0.60 5.19 1.57 -0.87 -2.49 116.57 120.90 3d41 h LYS 83 Ca 0.12 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3d41 h LYS 83 Cb 0.57 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 3d41 h LYS 83 CO 0.04 0.64 0.26 -0.22 -0.57 0.00 0.00 179.45 179.60 3d41 h LYS 84 N 0.82 0.46 -0.67 3.15 3.64 -0.95 -1.22 116.57 121.80 3d41 h LYS 84 Ca 0.21 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3d41 h LYS 84 Cb 0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3d41 h LYS 84 CO -0.03 0.31 0.31 0.00 -2.27 0.00 0.00 179.45 177.76 3d41 h ARG 85 N 0.48 0.98 -0.03 1.90 2.47 -1.12 0.22 114.38 119.28 3d41 h ARG 85 Ca 0.29 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3d41 h ARG 85 Cb 0.30 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3d41 h ARG 85 CO -0.25 0.79 -0.00 -1.49 0.56 0.00 0.00 179.97 179.58 3d41 h TRP 86 N 0.94 0.05 -0.46 3.04 4.06 -1.11 -1.80 115.95 120.67 3d41 h TRP 86 Ca 0.23 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.15 3d41 h TRP 86 Cb 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3d41 h TRP 86 CO 0.01 0.35 0.20 0.00 -3.56 0.00 0.00 178.44 175.43 3d41 h ALA 87 N 0.70 0.60 -0.53 1.49 0.00 -0.88 0.32 119.26 120.96 3d41 h ALA 87 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d41 h ALA 87 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3d41 h ALA 87 CO 0.00 0.18 0.29 1.49 0.00 0.00 0.00 179.25 181.22 3d41 h GLU 88 N 0.60 0.55 -0.17 0.00 4.81 -0.60 0.14 114.58 119.91 3d41 h GLU 88 Ca 0.16 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3d41 h GLU 88 Cb 0.16 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3d41 h GLU 88 CO -0.02 0.36 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.28 3d41 h LYS 89 N 0.57 0.39 -0.71 1.92 1.63 -0.57 -2.89 116.57 116.91 3d41 h LYS 89 Ca 0.23 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 3d41 h LYS 89 Cb 0.10 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 3d41 h LYS 89 CO -0.14 0.73 0.16 -0.07 -3.45 0.00 0.00 179.45 176.69 3d41 h LEU 90 N 0.06 1.08 -1.65 5.20 3.38 -0.04 -2.29 115.31 121.04 3d41 h LEU 90 Ca 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3d41 h LEU 90 Cb 0.64 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3d41 h LEU 90 CO 0.03 1.04 -0.06 0.03 0.09 0.00 0.00 178.44 179.57 3d41 h ARG 91 N 1.08 0.14 0.00 1.13 3.08 -0.70 -1.93 114.38 117.18 3d41 h ARG 91 Ca 0.22 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3d41 h ARG 91 Cb 0.39 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3d41 h ARG 91 CO 0.00 0.22 -0.11 0.78 -1.07 0.00 0.00 179.97 179.79 3d41 h GLY 92 N 0.47 0.00 -2.40 0.04 0.00 -1.19 -1.53 103.07 98.46 3d41 h GLY 92 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 3d41 h GLY 92 CO 0.01 0.00 0.07 0.29 0.00 0.00 0.00 176.54 176.91 3d41 n ILE 93 N -4.15 2.66 -0.41 2.60 -5.35 -1.01 -4.97 119.36 108.73 3d41 n ILE 93 Ca -0.03 -2.49 0.00 0.00 -0.27 0.00 0.00 62.75 59.96 3d41 n ILE 93 Cb 0.19 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 3d41 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d41 n GLY 94 N -1.04 0.78 3.76 3.28 0.00 -0.58 -5.05 105.19 106.34 3d41 n GLY 94 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 3d41 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d41 s VAL 95 N -2.15 5.05 -1.16 1.61 1.01 -0.76 -4.99 120.40 119.02 3d41 s VAL 95 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 3d41 s VAL 95 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3d41 s VAL 95 CO 0.00 0.41 2.04 0.47 0.00 0.00 0.00 175.10 178.02 3d41 n ASP 96 N 2.96 3.41 -4.69 3.32 8.00 -1.26 -3.26 116.55 125.02 3d41 n ASP 96 Ca -0.08 -2.78 -0.36 0.00 0.71 0.00 0.00 54.79 52.28 3d41 n ASP 96 Cb 0.51 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.06 3d41 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d41 s ALA 97 N 4.66 3.62 -0.14 2.24 0.00 -1.26 -0.22 121.76 130.66 3d41 s ALA 97 Ca 0.54 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3d41 s ALA 97 Cb 0.12 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3d41 s ALA 97 CO 0.03 -0.07 -0.12 0.12 0.00 0.00 0.00 175.76 175.71 3d41 s PHE 98 N 0.82 1.98 0.13 0.00 5.36 0.12 -4.83 117.98 121.57 3d41 s PHE 98 Ca 0.10 -1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 54.68 3d41 s PHE 98 Cb -0.13 -1.50 -0.06 0.00 -0.34 0.00 0.00 43.02 40.99 3d41 s PHE 98 CO 0.03 -0.63 1.05 -1.25 -1.46 0.00 0.00 175.22 172.96 3d41 s PRO 99 N 1.54 4.62 -0.02 10.12 0.04 -1.26 -0.74 135.00 149.30 3d41 s PRO 99 Ca 0.05 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.75 3d41 s PRO 99 Cb -0.13 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 3d41 s PRO 99 CO -0.10 0.09 -0.21 -0.51 0.04 0.00 0.00 177.00 176.31 3d41 s LEU 100 N -0.01 2.02 -0.37 -3.56 1.43 -0.62 -4.88 118.68 112.70 3d41 s LEU 100 Ca 0.49 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 3d41 s LEU 100 Cb -0.27 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.87 3d41 s LEU 100 CO 0.32 0.24 0.65 -1.58 0.23 0.00 0.00 176.35 176.21 3d41 s GLN 101 N -0.39 3.62 0.28 1.70 0.74 -1.26 -4.64 119.66 119.72 3d41 s GLN 101 Ca 0.05 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 3d41 s GLN 101 Cb -0.09 -3.83 0.40 0.00 1.10 0.00 0.00 33.01 30.59 3d41 s GLN 101 CO 0.00 -0.79 1.83 1.25 -0.55 0.00 0.00 175.29 177.03 3d41 h LEU 102 N 9.48 0.78 -2.11 3.68 5.85 -1.91 -1.94 115.31 129.15 3d41 h LEU 102 Ca -0.26 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3d41 h LEU 102 Cb 1.11 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3d41 h LEU 102 CO 0.85 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 179.71 3d41 h ALA 103 N 1.35 1.00 -0.01 1.25 0.00 -1.82 0.35 119.26 121.38 3d41 h ALA 103 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d41 h ALA 103 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d41 h ALA 103 CO -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 3d41 n ALA 104 N -1.97 3.23 0.00 0.00 0.00 -0.73 -4.28 120.51 116.77 3d41 n ALA 104 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3d41 n ALA 104 Cb 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3d41 n ALA 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3d41 n MET 105 N -0.69 2.84 -3.87 0.00 2.00 -0.11 -4.82 117.12 112.47 3d41 n MET 105 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.69 3d41 n MET 105 Cb 0.36 -0.73 -0.13 0.00 0.00 0.00 0.00 33.22 32.72 3d41 n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3d41 s THR 107 N -0.15 1.08 -0.18 0.00 -4.23 -0.78 -4.58 115.64 106.79 3d41 s THR 107 Ca -0.02 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 3d41 s THR 107 Cb -0.01 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 3d41 s THR 107 CO 0.00 -0.07 0.12 -0.76 -0.54 0.00 0.00 174.62 173.37 3d41 s LEU 108 N -3.43 4.16 -0.26 4.79 1.43 0.44 0.05 118.68 125.86 3d41 s LEU 108 Ca 0.35 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3d41 s LEU 108 Cb 0.08 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.33 3d41 s LEU 108 CO 0.14 0.22 0.10 -0.60 0.23 0.00 0.00 176.35 176.44 3d41 s ARG 109 N 0.10 0.42 -1.49 1.70 6.06 -0.51 -2.51 118.95 122.72 3d41 s ARG 109 Ca 0.08 -0.62 -0.12 0.00 -2.50 0.00 0.00 55.73 52.57 3d41 s ARG 109 Cb -0.11 -1.66 0.06 0.00 0.06 0.00 0.00 34.95 33.30 3d41 s ARG 109 CO -0.01 -0.90 0.99 0.09 -2.50 0.00 0.00 175.30 172.97 3d41 n ASN 110 N 5.10 -5.23 0.00 -2.12 4.13 -1.26 -3.23 115.26 112.65 3d41 n ASN 110 Ca -0.05 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.53 3d41 n ASN 110 Cb 0.44 -4.16 0.00 0.00 -1.54 0.00 0.00 39.78 34.51 3d41 n ASN 110 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d41 n GLY 111 N -1.73 2.86 3.64 7.41 0.00 -1.26 -4.97 105.19 111.14 3d41 n GLY 111 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3d41 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d41 s ILE 112 N -0.98 4.27 0.28 -0.61 1.01 -1.20 -5.02 121.20 118.95 3d41 s ILE 112 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 3d41 s ILE 112 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 3d41 s ILE 112 CO 0.00 -0.34 1.60 -2.16 0.00 0.00 0.00 174.94 174.04 3d41 s PRO 113 N 3.81 4.13 -0.19 2.79 0.04 -1.26 -1.43 135.00 142.91 3d41 s PRO 113 Ca 0.54 2.56 0.01 0.00 0.04 0.00 0.00 61.00 64.14 3d41 s PRO 113 Cb -0.18 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3d41 s PRO 113 CO 0.18 -0.63 -0.19 -0.65 0.04 0.00 0.00 177.00 175.75 3d41 s GLN 114 N -0.29 2.97 0.12 4.56 -1.52 0.11 -4.88 119.66 120.73 3d41 s GLN 114 Ca 0.64 -0.85 -0.30 0.00 -1.95 0.00 0.00 55.36 52.90 3d41 s GLN 114 Cb -0.47 -2.60 -0.07 0.00 -0.22 0.00 0.00 33.01 29.64 3d41 s GLN 114 CO 0.46 -0.23 1.22 -1.17 -0.25 0.00 0.00 175.29 175.32 3d41 s LEU 115 N 1.29 4.40 0.00 2.90 2.96 -1.26 -1.86 118.68 127.11 3d41 s LEU 115 Ca 0.04 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 3d41 s LEU 115 Cb -0.13 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3d41 s LEU 115 CO -0.12 -0.45 0.46 0.54 -1.32 0.00 0.00 176.35 175.45 3d41 n ARG 116 N 3.33 0.41 -4.69 1.98 5.12 0.11 -4.97 116.66 117.95 3d41 n ARG 116 Ca 0.07 -0.54 -0.26 0.00 -1.93 0.00 0.00 57.85 55.20 3d41 n ARG 116 Cb 0.45 -0.62 -0.17 0.00 -1.16 0.00 0.00 32.46 30.96 3d41 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3d41 s SER 117 N -0.16 1.98 0.00 0.55 0.15 -1.02 -4.93 113.70 110.26 3d41 s SER 117 Ca 0.00 -0.34 0.21 0.00 0.70 0.00 0.00 55.95 56.52 3d41 s SER 117 Cb 0.00 -0.87 1.02 0.00 -1.71 0.00 0.00 66.02 64.46 3d41 s SER 117 CO 0.00 0.06 1.66 -0.62 1.20 0.00 0.00 173.24 175.54 3d41 n GLU 118 N 3.69 0.25 -0.17 5.44 1.02 -1.26 -4.12 120.64 125.49 3d41 n GLU 118 Ca -0.22 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 3d41 n GLU 118 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3d41 n GLU 118 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3d41 h VAL 119 N 0.00 1.26 -0.31 2.62 2.07 -1.98 -2.59 116.25 117.31 3d41 h VAL 119 Ca 0.00 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3d41 h VAL 119 Cb 0.22 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3d41 h VAL 119 CO 0.00 0.36 -0.25 0.25 0.02 0.00 0.00 177.57 177.95 3d41 h LEU 120 N 0.70 -0.83 -0.39 2.57 5.85 -2.00 0.22 115.31 121.42 3d41 h LEU 120 Ca 0.14 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3d41 h LEU 120 Cb 0.47 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3d41 h LEU 120 CO 0.02 -0.28 0.19 -0.09 -0.34 0.00 0.00 178.44 177.94 3d41 h ARG 121 N -0.23 0.38 0.09 1.25 9.65 -1.81 -2.02 114.38 121.70 3d41 h ARG 121 Ca 0.16 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 3d41 h ARG 121 Cb 0.48 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3d41 h ARG 121 CO -0.44 0.25 -0.16 -0.44 2.80 0.00 0.00 179.97 181.98 3d41 h ASP 122 N 0.39 -0.44 -0.62 -3.80 5.19 -1.02 0.44 116.42 116.56 3d41 h ASP 122 Ca 0.17 0.05 0.12 0.00 -0.62 0.00 0.00 57.03 56.75 3d41 h ASP 122 Cb 0.08 0.17 -0.09 0.00 0.18 0.00 0.00 39.33 39.67 3d41 h ASP 122 CO -0.12 -0.23 0.14 0.58 -3.12 0.00 0.00 179.24 176.49 3d41 h VAL 123 N -0.31 0.63 -0.50 -1.35 2.07 -0.41 -0.90 116.25 115.49 3d41 h VAL 123 Ca 0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3d41 h VAL 123 Cb 0.33 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3d41 h VAL 123 CO -0.09 0.05 0.24 -0.07 0.02 0.00 0.00 177.57 177.72 3d41 h LEU 124 N 0.27 0.66 -2.06 2.57 3.38 -1.26 -1.92 115.31 116.95 3d41 h LEU 124 Ca 0.33 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3d41 h LEU 124 Cb 0.49 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3d41 h LEU 124 CO -0.41 0.60 0.03 0.44 0.09 0.00 0.00 178.44 179.19 3d41 h ASP 125 N 0.67 0.00 0.86 -0.43 5.19 -0.24 -0.80 116.42 121.66 3d41 h ASP 125 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3d41 h ASP 125 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3d41 h ASP 125 CO -0.02 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.51 3d41 n HIS 126 N -4.43 0.07 -0.31 4.55 8.25 -0.40 -4.89 115.22 118.06 3d41 n HIS 126 Ca -0.02 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3d41 n HIS 126 Cb 0.13 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.70 3d41 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d41 n GLY 127 N 0.98 0.83 3.96 -1.41 0.00 -0.31 -5.01 105.19 104.23 3d41 n GLY 127 Ca 0.06 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3d41 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d41 s ALA 128 N -2.00 3.77 -0.38 4.61 0.00 -0.99 -3.99 121.76 122.78 3d41 s ALA 128 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 3d41 s ALA 128 Cb 0.00 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 21.05 3d41 s ALA 128 CO 0.00 -0.60 0.17 -1.17 0.00 0.00 0.00 175.76 174.16 3d41 s LEU 129 N -4.70 4.87 0.19 0.00 2.96 0.69 -4.06 118.68 118.64 3d41 s LEU 129 Ca 0.53 -1.63 -0.31 0.00 -0.22 0.00 0.00 54.13 52.50 3d41 s LEU 129 Cb -0.10 -1.86 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 3d41 s LEU 129 CO 0.39 -0.47 1.54 -2.84 -1.32 0.00 0.00 176.35 173.65 3d41 s PRO 130 N 1.28 4.22 -0.25 0.98 0.02 -1.26 -0.70 135.00 139.29 3d41 s PRO 130 Ca 0.03 2.35 -0.07 0.00 0.02 0.00 0.00 61.00 63.33 3d41 s PRO 130 Cb -0.22 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 3d41 s PRO 130 CO -0.01 -0.56 0.05 0.08 -0.33 0.00 0.00 177.00 176.22 3d41 s VAL 131 N 0.86 4.07 0.46 3.83 1.01 0.08 -1.99 120.40 128.72 3d41 s VAL 131 Ca 0.67 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3d41 s VAL 131 Cb -0.43 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3d41 s VAL 131 CO 0.34 0.32 0.03 -0.76 0.00 0.00 0.00 175.10 175.03 3d41 s LEU 132 N 1.57 2.33 0.18 3.92 1.43 0.12 -1.58 118.68 126.65 3d41 s LEU 132 Ca 0.06 -1.59 -0.24 0.00 -1.03 0.00 0.00 54.13 51.33 3d41 s LEU 132 Cb -0.15 -0.63 0.06 0.00 0.03 0.00 0.00 46.19 45.50 3d41 s LEU 132 CO 0.02 -0.78 0.94 0.00 0.23 0.00 0.00 176.35 176.76 3d41 s ALA 133 N -2.93 -1.55 1.27 4.21 0.00 -1.26 -1.43 121.76 120.05 3d41 s ALA 133 Ca 0.16 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 3d41 s ALA 133 Cb 0.04 0.68 0.27 0.00 0.00 0.00 0.00 23.12 24.11 3d41 s ALA 133 CO 0.08 -1.05 0.84 0.41 0.00 0.00 0.00 175.76 176.05 3d41 n GLY 134 N -0.51 -3.09 3.64 0.00 0.00 -1.26 -4.72 105.19 99.25 3d41 n GLY 134 Ca -0.05 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.57 3d41 n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d41 s ASP 135 N -3.62 -0.04 -0.29 1.61 -1.08 0.38 -4.83 116.67 108.81 3d41 s ASP 135 Ca 0.57 -0.10 -0.18 0.00 -0.52 0.00 0.00 52.55 52.32 3d41 s ASP 135 Cb -0.07 0.11 -0.02 0.00 -1.46 0.00 0.00 42.92 41.48 3d41 s ASP 135 CO 0.45 -0.21 0.51 0.00 0.52 0.00 0.00 175.17 176.44 3d41 s ALA 136 N -2.27 3.55 -0.03 3.66 0.00 -1.26 -0.29 121.76 125.12 3d41 s ALA 136 Ca 0.16 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3d41 s ALA 136 Cb 0.05 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 3d41 s ALA 136 CO -0.04 -0.90 -0.08 -0.51 0.00 0.00 0.00 175.76 174.22 3d41 s LEU 137 N 2.35 3.10 0.24 0.00 1.43 -0.06 -4.64 118.68 121.11 3d41 s LEU 137 Ca 0.20 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 3d41 s LEU 137 Cb -0.15 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 3d41 s LEU 137 CO 0.11 0.33 0.93 -0.36 0.23 0.00 0.00 176.35 177.59 3d41 s PHE 138 N -0.88 3.96 0.29 0.29 0.40 -1.26 -0.68 117.98 120.10 3d41 s PHE 138 Ca 0.14 1.90 0.01 0.00 -0.60 0.00 0.00 56.93 58.38 3d41 s PHE 138 Cb -0.11 -2.97 0.05 0.00 0.51 0.00 0.00 43.02 40.51 3d41 s PHE 138 CO 0.04 0.44 0.40 -0.40 0.70 0.00 0.00 175.22 176.40 3d41 n ASP 139 N 1.42 0.68 0.05 1.36 5.68 -0.17 -0.42 116.55 125.16 3d41 n ASP 139 Ca -0.02 -1.54 0.10 0.00 -0.50 0.00 0.00 54.79 52.83 3d41 n ASP 139 Cb 0.47 -0.24 0.41 0.00 -1.14 0.00 0.00 41.12 40.62 3d41 n ASP 139 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3d41 n GLU 140 N -1.70 0.08 -0.09 0.11 0.00 -1.05 -1.80 120.64 116.19 3d41 n GLU 140 Ca 0.07 0.28 0.10 0.00 0.00 0.00 0.00 57.16 57.61 3d41 n GLU 140 Cb 0.25 -1.64 0.14 0.00 0.00 0.00 0.00 31.44 30.19 3d41 n GLU 140 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3d41 n HIS 141 N -1.79 0.23 -0.57 -1.84 8.25 -1.26 -4.96 115.22 113.28 3d41 n HIS 141 Ca 0.04 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3d41 n HIS 141 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3d41 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d41 n GLY 142 N 1.19 0.76 3.79 -1.41 0.00 -0.75 -5.05 105.19 103.73 3d41 n GLY 142 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3d41 n GLY 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d41 s LYS 143 N -0.43 4.40 0.20 1.61 2.20 -1.26 -4.77 119.74 121.69 3d41 s LYS 143 Ca 0.00 0.97 -0.26 0.00 -0.36 0.00 0.00 55.97 56.31 3d41 s LYS 143 Cb 0.00 -3.25 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 3d41 s LYS 143 CO 0.00 0.60 0.82 -0.51 -0.36 0.00 0.00 175.35 175.90 3d41 s LEU 144 N -1.10 4.59 0.01 5.43 1.43 -1.26 -1.00 118.68 126.78 3d41 s LEU 144 Ca 0.33 1.72 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 3d41 s LEU 144 Cb -0.21 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3d41 s LEU 144 CO 0.23 0.18 -0.14 0.26 0.23 0.00 0.00 176.35 177.10 3d41 s TRP 145 N -1.20 1.25 -0.06 0.29 0.52 0.15 -4.92 118.94 114.97 3d41 s TRP 145 Ca 0.38 -0.29 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 3d41 s TRP 145 Cb -0.23 -0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 3d41 s TRP 145 CO 0.27 0.01 1.17 0.00 0.02 0.00 0.00 176.95 178.42 3d41 s ALA 146 N -0.56 3.48 -0.25 0.98 0.00 -1.26 -0.88 121.76 123.26 3d41 s ALA 146 Ca 0.04 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3d41 s ALA 146 Cb -0.06 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3d41 s ALA 146 CO 0.00 -0.73 -0.04 0.12 0.00 0.00 0.00 175.76 175.12 3d41 s PHE 147 N 2.14 2.63 0.52 0.00 5.36 0.60 -4.96 117.98 124.27 3d41 s PHE 147 Ca 0.55 -1.98 -0.22 0.00 -0.96 0.00 0.00 56.93 54.33 3d41 s PHE 147 Cb -0.24 -1.78 -0.06 0.00 -0.34 0.00 0.00 43.02 40.60 3d41 s PHE 147 CO 0.22 -0.82 1.26 0.45 -1.46 0.00 0.00 175.22 174.87 3d41 s SER 148 N 1.31 5.60 0.44 6.13 0.15 -1.26 -0.47 113.70 125.60 3d41 s SER 148 Ca -0.04 2.52 0.21 0.00 0.70 0.00 0.00 55.95 59.34 3d41 s SER 148 Cb -0.19 -2.62 1.18 0.00 -1.71 0.00 0.00 66.02 62.68 3d41 s SER 148 CO -0.07 -1.32 1.84 0.77 1.20 0.00 0.00 173.24 175.65 3d41 h SER 149 N 1.58 0.33 -0.90 5.45 4.64 -1.85 -2.25 113.55 120.55 3d41 h SER 149 Ca -0.50 0.04 0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3d41 h SER 149 Cb 1.28 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 3d41 h SER 149 CO 0.58 0.11 0.61 0.44 -0.87 0.00 0.00 176.83 177.70 3d41 h ASP 150 N 0.31 0.26 0.31 4.97 3.32 -1.93 -1.54 116.42 122.12 3d41 h ASP 150 Ca 0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3d41 h ASP 150 Cb 1.39 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3d41 h ASP 150 CO -0.17 0.09 -0.34 0.54 -1.72 0.00 0.00 179.24 177.65 3d41 n ARG 151 N -4.43 0.58 -0.26 3.56 1.74 -0.85 -4.34 116.66 112.66 3d41 n ARG 151 Ca 0.19 -0.35 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3d41 n ARG 151 Cb 0.80 -1.49 0.18 0.00 -1.02 0.00 0.00 32.46 30.93 3d41 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3d41 h VAL 152 N 0.84 0.72 -0.72 1.55 2.07 -1.34 -1.69 116.25 117.70 3d41 h VAL 152 Ca 0.00 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.53 3d41 h VAL 152 Cb 0.51 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3d41 h VAL 152 CO 0.00 0.10 0.50 -0.65 0.02 0.00 0.00 177.57 177.54 3d41 h PRO 153 N 0.52 0.09 -0.45 1.57 0.11 -1.77 0.69 132.00 132.77 3d41 h PRO 153 Ca 0.41 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.59 3d41 h PRO 153 Cb 0.57 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3d41 h PRO 153 CO -0.36 0.06 0.31 0.93 -0.21 0.00 0.00 178.00 178.73 3d41 h GLU 154 N 0.10 0.28 -0.03 1.05 5.08 -1.61 -1.24 114.58 118.21 3d41 h GLU 154 Ca 0.35 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3d41 h GLU 154 Cb 1.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3d41 h GLU 154 CO -0.04 0.18 -0.32 0.28 -1.00 0.00 0.00 179.01 178.11 3d41 h VAL 155 N 0.28 1.24 0.00 3.13 2.07 -0.96 -2.89 116.25 119.13 3d41 h VAL 155 Ca 0.20 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3d41 h VAL 155 Cb 0.44 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3d41 h VAL 155 CO -0.04 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.81 3d41 h LEU 156 N 0.04 0.00 -0.31 2.57 3.38 -1.31 -3.38 115.31 116.30 3d41 h LEU 156 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d41 h LEU 156 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3d41 h LEU 156 CO 0.04 0.00 0.19 -0.07 0.09 0.00 0.00 178.44 178.69 3d41 h LEU 157 N 0.00 0.31 0.00 1.67 3.38 -1.54 0.44 115.31 119.57 3d41 h LEU 157 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d41 h LEU 157 Cb 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3d41 h LEU 157 CO 0.00 0.22 0.00 -0.81 0.09 0.00 0.00 178.44 177.94 3d41 n PRO 158 N -4.90 0.88 -0.08 1.13 -0.04 -1.26 -3.91 135.00 126.81 3d41 n PRO 158 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 3d41 n PRO 158 Cb 0.04 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 3d41 n PRO 158 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3d41 n MET 159 N -1.03 0.98 -2.93 0.54 0.00 0.06 -4.94 117.12 109.80 3d41 n MET 159 Ca 0.22 0.06 -0.42 0.00 0.00 0.00 0.00 57.70 57.56 3d41 n MET 159 Cb 0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 33.22 31.91 3d41 n MET 159 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3d41 s VAL 160 N -2.37 4.85 0.31 1.12 1.01 -0.71 -5.04 120.40 119.58 3d41 s VAL 160 Ca -0.17 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.04 3d41 s VAL 160 Cb 0.06 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 3d41 s VAL 160 CO 0.51 -0.08 0.89 -1.61 0.00 0.00 0.00 175.10 174.81 3d41 s GLU 161 N 2.81 4.46 2.19 2.72 0.41 -1.26 -4.92 118.70 125.11 3d41 s GLU 161 Ca 0.33 1.19 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 3d41 s GLU 161 Cb -0.15 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 3d41 s GLU 161 CO 0.08 0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 3d41 n GLY 162 N 0.44 -1.06 3.63 -1.39 0.00 -1.26 -4.82 105.19 100.73 3d41 n GLY 162 Ca 0.02 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3d41 n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d41 s ARG 163 N 0.00 3.98 -0.19 1.61 0.52 -1.26 -4.93 118.95 118.68 3d41 s ARG 163 Ca 0.00 1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 56.10 3d41 s ARG 163 Cb 0.00 -3.79 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 3d41 s ARG 163 CO 0.00 -1.02 0.22 -1.17 0.02 0.00 0.00 175.30 173.35 3d41 s LEU 164 N 3.90 4.20 -0.20 2.53 2.96 -1.26 -0.40 118.68 130.41 3d41 s LEU 164 Ca 0.47 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 3d41 s LEU 164 Cb -0.12 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3d41 s LEU 164 CO 0.19 0.10 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.71 3d41 s ARG 165 N 0.63 3.58 -0.23 1.98 3.52 -0.08 -0.14 118.95 128.20 3d41 s ARG 165 Ca 0.12 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.12 3d41 s ARG 165 Cb -0.13 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3d41 s ARG 165 CO 0.02 0.00 0.02 0.08 -0.81 0.00 0.00 175.30 174.61 3d41 s VAL 166 N 1.01 3.89 -0.21 7.11 1.01 0.11 -1.48 120.40 131.85 3d41 s VAL 166 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3d41 s VAL 166 Cb -0.14 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3d41 s VAL 166 CO 0.01 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 174.68 3d41 s VAL 167 N 1.53 2.57 -0.39 2.92 1.01 -0.60 0.36 120.40 127.80 3d41 s VAL 167 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3d41 s VAL 167 Cb -0.15 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.11 3d41 s VAL 167 CO 0.01 0.41 0.22 -0.89 0.00 0.00 0.00 175.10 174.84 3d41 s THR 168 N 1.34 4.29 -0.11 3.92 2.01 0.18 -0.45 115.64 126.81 3d41 s THR 168 Ca 0.03 -1.15 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 3d41 s THR 168 Cb -0.14 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3d41 s THR 168 CO -0.08 -0.35 0.72 -0.76 -0.69 0.00 0.00 174.62 173.45 3d41 s LEU 169 N 1.47 4.26 0.00 4.42 1.43 0.26 -2.26 118.68 128.26 3d41 s LEU 169 Ca 0.02 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 3d41 s LEU 169 Cb -0.21 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 3d41 s LEU 169 CO 0.04 -0.21 0.10 1.07 0.23 0.00 0.00 176.35 177.59 3d41 n THR 170 N 4.15 0.00 -0.98 5.49 5.66 0.16 -1.17 114.28 127.59 3d41 n THR 170 Ca 0.00 -0.91 0.05 0.00 -3.05 0.00 0.00 64.05 60.14 3d41 n THR 170 Cb 0.50 0.45 0.34 0.00 -1.55 0.00 0.00 70.33 70.07 3d41 n THR 170 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3d41 n ASP 171 N -2.48 4.92 -4.20 1.09 5.75 -1.26 -0.18 116.55 120.19 3d41 n ASP 171 Ca 0.03 -3.05 -0.12 0.00 -0.01 0.00 0.00 54.79 51.64 3d41 n ASP 171 Cb 0.23 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.56 3d41 n ASP 171 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3d41 s VAL 172 N -2.85 0.20 -1.29 2.12 -7.23 -1.26 -5.03 120.40 105.06 3d41 s VAL 172 Ca 0.51 -1.96 0.29 0.00 -1.81 0.00 0.00 61.98 59.01 3d41 s VAL 172 Cb 0.40 -2.27 0.36 0.00 0.56 0.00 0.00 36.38 35.44 3d41 s VAL 172 CO 0.13 -0.27 1.91 0.47 -0.31 0.00 0.00 175.10 177.03 3d41 n ASP 173 N -0.21 0.15 0.00 4.85 8.00 -1.26 -2.17 116.55 125.91 3d41 n ASP 173 Ca -0.03 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3d41 n ASP 173 Cb 0.65 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3d41 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d41 n GLY 174 N 1.38 -0.42 3.63 0.44 0.00 -1.26 -3.05 105.19 105.91 3d41 n GLY 174 Ca 0.11 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3d41 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d41 s ILE 175 N -2.58 3.97 -0.14 -0.61 -1.09 -1.26 -4.95 121.20 114.53 3d41 s ILE 175 Ca 0.00 1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 59.31 3d41 s ILE 175 Cb 0.00 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3d41 s ILE 175 CO 0.00 -0.38 0.59 0.54 -1.23 0.00 0.00 174.94 174.46 3d41 s VAL 176 N 4.64 5.08 0.42 2.92 0.11 -1.26 -1.08 120.40 131.24 3d41 s VAL 176 Ca 0.62 1.16 0.07 0.00 -2.93 0.00 0.00 61.98 60.90 3d41 s VAL 176 Cb -0.20 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 3d41 s VAL 176 CO 0.25 0.21 0.23 0.42 -3.33 0.00 0.00 175.10 172.89 3d41 s THR 177 N 1.25 2.33 0.00 5.04 -4.23 0.07 -4.81 115.64 115.29 3d41 s THR 177 Ca 0.30 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3d41 s THR 177 Cb -0.16 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3d41 s THR 177 CO 0.12 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.67 3d41 n ASP 178 N -1.34 0.00 -0.06 3.99 9.92 -1.26 -2.36 116.55 125.44 3d41 n ASP 178 Ca -0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 3d41 n ASP 178 Cb 0.64 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.12 3d41 n ASP 178 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3d41 n ASP 183 N 1.81 -3.45 -3.71 -2.24 5.75 -1.26 -5.20 116.55 108.26 3d41 n ASP 183 Ca 0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 54.79 54.68 3d41 n ASP 183 Cb 0.00 -1.02 -0.12 0.00 -1.03 0.00 0.00 41.12 38.94 3d41 n ASP 183 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3d41 s THR 184 N -1.91 -0.12 -0.03 2.12 -4.23 -0.99 -5.15 115.64 105.32 3d41 s THR 184 Ca 0.00 0.15 -0.25 0.00 -1.18 0.00 0.00 61.69 60.41 3d41 s THR 184 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3d41 s THR 184 CO 0.00 0.06 0.76 0.27 -0.54 0.00 0.00 174.62 175.18 3d41 s ILE 185 N 1.54 4.96 -0.18 2.99 -4.36 -1.26 -0.75 121.20 124.13 3d41 s ILE 185 Ca -0.07 1.59 -0.29 0.00 -0.26 0.00 0.00 60.65 61.62 3d41 s ILE 185 Cb -0.10 -4.11 -0.03 0.00 1.25 0.00 0.00 42.46 39.47 3d41 s ILE 185 CO -0.10 0.26 1.64 -0.22 0.24 0.00 0.00 174.94 176.76 3d41 s LEU 186 N 0.68 3.99 0.13 0.37 2.96 -0.24 -4.94 118.68 121.63 3d41 s LEU 186 Ca 0.40 1.78 -0.03 0.00 -0.22 0.00 0.00 54.13 56.06 3d41 s LEU 186 Cb -0.19 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3d41 s LEU 186 CO 0.21 -1.20 1.32 1.55 -1.32 0.00 0.00 176.35 176.91 3d41 h PRO 187 N 10.56 0.38 -3.91 0.98 0.13 -1.91 -3.38 132.00 134.85 3d41 h PRO 187 Ca -0.35 -0.41 -0.29 0.00 -0.87 0.00 0.00 66.00 64.08 3d41 h PRO 187 Cb 1.16 0.12 -0.30 0.00 0.13 0.00 0.00 31.00 32.11 3d41 h PRO 187 CO 0.99 1.08 -0.74 -1.21 -0.23 0.00 0.00 178.00 177.89 3d41 s GLU 188 N -3.26 0.20 -0.08 0.86 0.41 -1.26 -1.08 118.70 114.50 3d41 s GLU 188 Ca -0.05 -0.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.49 3d41 s GLU 188 Cb 0.09 -0.25 0.01 0.00 -1.78 0.00 0.00 34.13 32.20 3d41 s GLU 188 CO 0.86 0.00 -0.12 0.08 -0.49 0.00 0.00 175.26 175.59 3d41 s VAL 189 N 0.22 1.20 -0.36 2.63 1.01 0.12 -4.92 120.40 120.30 3d41 s VAL 189 Ca -0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3d41 s VAL 189 Cb -0.04 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3d41 s VAL 189 CO -0.01 0.37 0.83 -0.62 0.00 0.00 0.00 175.10 175.67 3d41 s ASP 190 N 0.82 6.60 0.28 3.32 2.15 -1.26 -1.77 116.67 126.81 3d41 s ASP 190 Ca -0.11 0.46 0.21 0.00 0.43 0.00 0.00 52.55 53.53 3d41 s ASP 190 Cb -0.15 -2.42 1.05 0.00 -0.30 0.00 0.00 42.92 41.09 3d41 s ASP 190 CO 0.02 -0.76 1.64 0.00 -0.17 0.00 0.00 175.17 175.90 3d41 n ALA 191 N 6.50 1.23 0.36 3.66 0.00 0.10 -1.53 120.51 130.83 3d41 n ALA 191 Ca 0.04 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.76 3d41 n ALA 191 Cb 0.48 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.83 3d41 n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d41 h ARG 192 N 0.00 0.00 -1.27 0.00 3.08 -1.92 -3.39 114.38 110.88 3d41 h ARG 192 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3d41 h ARG 192 Cb 0.11 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.90 3d41 h ARG 192 CO 0.00 0.00 -0.74 -1.13 -1.07 0.00 0.00 179.97 177.03 3d41 n SER 193 N -2.70 -1.82 -0.95 7.04 3.41 -0.58 -5.03 113.62 112.99 3d41 n SER 193 Ca 0.04 -2.85 -0.01 0.00 -0.26 0.00 0.00 58.87 55.79 3d41 n SER 193 Cb 0.49 0.71 0.02 0.00 -0.26 0.00 0.00 64.21 65.17 3d41 n SER 193 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3d41 n PRO 194 N 2.22 1.14 -0.00 4.33 -0.04 -0.99 -4.58 135.00 137.07 3d41 n PRO 194 Ca 0.19 -0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 3d41 n PRO 194 Cb 0.55 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 3d41 n PRO 194 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3d41 h GLU 195 N 0.13 -0.25 -0.33 0.54 3.07 -1.96 -1.76 114.58 114.01 3d41 h GLU 195 Ca 0.03 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 3d41 h GLU 195 Cb 0.99 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 3d41 h GLU 195 CO 0.07 -0.17 0.00 1.96 -1.40 0.00 0.00 179.01 179.47 3d41 h GLN 196 N -0.26 0.52 -0.04 2.33 1.08 -1.98 0.83 115.11 117.57 3d41 h GLN 196 Ca 0.10 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3d41 h GLN 196 Cb 0.42 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3d41 h GLN 196 CO -0.29 0.54 0.01 0.00 -0.95 0.00 0.00 178.83 178.15 3d41 h ALA 197 N 1.51 0.06 -0.66 3.87 0.00 -1.76 -2.81 119.26 119.47 3d41 h ALA 197 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3d41 h ALA 197 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3d41 h ALA 197 CO 0.01 -0.33 0.16 1.88 0.00 0.00 0.00 179.25 180.97 3d41 h TYR 198 N -0.12 1.08 -0.16 0.00 -1.99 -0.98 -2.84 116.97 111.96 3d41 h TYR 198 Ca 0.01 -0.12 0.05 0.00 2.00 0.00 0.00 58.73 60.67 3d41 h TYR 198 Cb 0.21 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3d41 h TYR 198 CO -0.00 0.88 0.19 0.00 -0.00 0.00 0.00 178.16 179.23 3d41 h ALA 199 N 1.18 1.73 0.00 3.88 0.00 -0.74 -3.06 119.26 122.26 3d41 h ALA 199 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d41 h ALA 199 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d41 h ALA 199 CO 0.00 -0.28 -0.58 0.00 0.00 0.00 0.00 179.25 178.40 3d41 h ALA 200 N 1.76 0.64 -2.79 0.00 0.00 -1.24 -3.48 119.26 114.16 3d41 h ALA 200 Ca 0.08 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 3d41 h ALA 200 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.29 3d41 h ALA 200 CO -0.00 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.27 3d41 s LEU 201 N -4.62 4.40 0.36 0.00 1.43 -1.16 -4.86 118.68 114.23 3d41 s LEU 201 Ca 0.06 2.40 0.08 0.00 -1.03 0.00 0.00 54.13 55.63 3d41 s LEU 201 Cb 0.12 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3d41 s LEU 201 CO 0.72 -0.41 0.22 -1.66 0.23 0.00 0.00 176.35 175.45 3d41 s TRP 202 N -1.24 2.75 0.07 0.29 -2.14 -1.26 -5.10 118.94 112.30 3d41 s TRP 202 Ca 0.50 -0.40 -0.27 0.00 2.66 0.00 0.00 56.10 58.59 3d41 s TRP 202 Cb -0.33 -1.80 -0.05 0.00 -3.10 0.00 0.00 33.47 28.19 3d41 s TRP 202 CO 0.43 0.21 0.85 0.20 -2.66 0.00 0.00 176.95 175.99 3d41 s GLY 203 N -3.94 2.88 1.02 3.67 0.00 -1.26 -4.94 107.32 104.75 3d41 s GLY 203 Ca 0.40 0.41 -0.19 0.00 0.00 0.00 0.00 44.72 45.34 3d41 s GLY 203 CO 0.24 1.27 -0.49 1.44 0.00 0.00 0.00 173.10 175.57 3d41 n SER 204 N 2.86 -3.39 -4.72 1.64 7.64 -1.26 -4.97 113.62 111.43 3d41 n SER 204 Ca -0.00 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 3d41 n SER 204 Cb 0.50 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 3d41 n SER 204 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d41 s SER 205 N -1.47 6.93 0.00 6.43 1.04 -1.26 -4.82 113.70 120.55 3d41 s SER 205 Ca 0.47 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.12 3d41 s SER 205 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3d41 s SER 205 CO 0.71 -0.57 0.00 -1.84 0.98 0.00 0.00 173.24 172.52 3d41 n GLU 206 N 3.80 0.00 -0.14 4.02 0.00 -1.26 -4.13 120.64 122.93 3d41 n GLU 206 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.28 3d41 n GLU 206 Cb 0.44 -1.04 0.08 0.00 0.00 0.00 0.00 31.44 30.91 3d41 n GLU 206 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 3d41 n TRP 207 N -0.05 0.33 -3.97 -1.84 -0.00 -1.26 -4.82 117.44 105.83 3d41 n TRP 207 Ca 0.00 -0.13 -0.31 0.00 -0.00 0.00 0.00 57.50 57.06 3d41 n TRP 207 Cb 0.00 -0.09 -0.15 0.00 -0.00 0.00 0.00 31.31 31.06 3d41 n TRP 207 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3d41 s ASP 208 N -0.59 4.30 0.50 5.87 -1.08 -1.26 -5.00 116.67 119.41 3d41 s ASP 208 Ca 0.11 -1.59 0.28 0.00 -0.52 0.00 0.00 52.55 50.84 3d41 s ASP 208 Cb 0.07 -1.37 1.21 0.00 -1.46 0.00 0.00 42.92 41.38 3d41 s ASP 208 CO 0.05 -0.29 1.94 0.00 0.52 0.00 0.00 175.17 177.39 3d41 h ALA 209 N 7.82 1.06 -0.16 3.66 0.00 -1.91 -3.25 119.26 126.48 3d41 h ALA 209 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3d41 h ALA 209 Cb 1.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3d41 h ALA 209 CO 0.46 0.16 -0.04 0.25 0.00 0.00 0.00 179.25 180.08 3d41 n THR 210 N -3.33 2.18 -0.75 0.00 -2.24 -1.26 -5.00 114.28 103.88 3d41 n THR 210 Ca -0.00 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 3d41 n THR 210 Cb 0.34 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3d41 n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d41 n GLY 211 N -0.98 0.59 7.00 3.38 0.00 -1.23 -4.59 105.19 109.37 3d41 n GLY 211 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3d41 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d41 n ALA 212 N 0.25 0.00 0.16 4.61 0.00 -1.26 -1.59 120.51 122.67 3d41 n ALA 212 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3d41 n ALA 212 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 3d41 n ALA 212 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3d41 h MET 213 N 0.00 0.00 -0.42 0.00 4.05 -1.92 -3.06 114.93 113.58 3d41 h MET 213 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 3d41 h MET 213 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3d41 h MET 213 CO 0.00 0.49 0.12 1.25 0.23 0.00 0.00 176.91 179.00 3d41 h HIS 214 N 0.00 0.70 -0.14 1.39 -0.00 -1.68 -0.57 115.15 114.84 3d41 h HIS 214 Ca -0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 60.37 60.16 3d41 h HIS 214 Cb 1.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 3d41 h HIS 214 CO 0.00 0.64 -0.48 1.15 -0.00 0.00 0.00 177.93 179.24 3d41 h THR 215 N 0.55 1.33 -0.07 6.26 2.02 -1.54 -1.44 112.91 120.02 3d41 h THR 215 Ca 0.14 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.63 3d41 h THR 215 Cb 0.28 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3d41 h THR 215 CO -0.00 0.52 -0.05 0.50 0.37 0.00 0.00 175.52 176.85 3d41 h LYS 216 N 0.30 -0.06 -0.21 6.66 3.64 -1.40 -0.87 116.57 124.63 3d41 h LYS 216 Ca 0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3d41 h LYS 216 Cb 0.96 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3d41 h LYS 216 CO 0.08 -0.04 -0.09 1.25 -2.27 0.00 0.00 179.45 178.38 3d41 h LEU 217 N -0.06 0.44 -0.56 5.20 5.85 -1.01 -2.55 115.31 122.61 3d41 h LEU 217 Ca 0.05 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.48 3d41 h LEU 217 Cb 0.13 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 40.93 3d41 h LEU 217 CO -0.11 0.74 -0.25 0.44 -0.34 0.00 0.00 178.44 178.92 3d41 h ASP 218 N 0.14 -0.88 -0.26 1.25 3.32 -1.20 0.37 116.42 119.15 3d41 h ASP 218 Ca 0.05 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3d41 h ASP 218 Cb 0.57 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3d41 h ASP 218 CO 0.03 -0.27 0.13 0.00 -1.72 0.00 0.00 179.24 177.41 3d41 h ALA 219 N 1.22 0.34 -0.06 3.45 0.00 -1.07 -1.14 119.26 122.00 3d41 h ALA 219 Ca 0.25 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 3d41 h ALA 219 Cb 0.51 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3d41 h ALA 219 CO -0.63 -0.11 -0.86 -0.07 0.00 0.00 0.00 179.25 177.58 3d41 h LEU 220 N 0.29 0.70 -1.13 0.00 3.38 -1.21 -1.07 115.31 116.26 3d41 h LEU 220 Ca 0.09 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3d41 h LEU 220 Cb 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3d41 h LEU 220 CO -0.01 1.28 0.59 0.58 0.09 0.00 0.00 178.44 180.97 3d41 h VAL 221 N 0.36 1.15 -0.08 1.22 2.07 -0.23 -0.70 116.25 120.05 3d41 h VAL 221 Ca -0.07 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3d41 h VAL 221 Cb 1.48 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3d41 h VAL 221 CO 0.16 0.21 0.01 0.74 0.02 0.00 0.00 177.57 178.70 3d41 h THR 222 N 1.13 1.23 -0.65 2.57 2.02 -0.78 -2.03 112.91 116.40 3d41 h THR 222 Ca 0.36 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3d41 h THR 222 Cb 0.01 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3d41 h THR 222 CO -0.11 0.20 0.42 0.00 0.37 0.00 0.00 175.52 176.41 3d41 h ALA 224 N 1.24 0.82 0.00 0.00 0.00 -1.05 -1.27 119.26 119.01 3d41 h ALA 224 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3d41 h ALA 224 Cb -0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3d41 h ALA 224 CO -0.06 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 3d41 h ARG 225 N 0.72 0.00 -0.62 0.00 3.08 -1.33 -1.86 114.38 114.37 3d41 h ARG 225 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3d41 h ARG 225 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3d41 h ARG 225 CO 0.06 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 3d41 n ARG 226 N -3.66 4.35 0.00 0.04 5.12 -0.54 -4.94 116.66 117.02 3d41 n ARG 226 Ca -0.03 -2.94 0.00 0.00 -1.93 0.00 0.00 57.85 52.95 3d41 n ARG 226 Cb 0.09 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 3d41 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d41 n GLY 227 N 0.81 3.23 3.74 -0.13 0.00 -0.70 -5.05 105.19 107.09 3d41 n GLY 227 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3d41 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d41 s ALA 228 N -2.80 2.31 -0.25 4.61 0.00 -0.83 -4.73 121.76 120.08 3d41 s ALA 228 Ca 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3d41 s ALA 228 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3d41 s ALA 228 CO 0.00 -1.55 0.16 -2.00 0.00 0.00 0.00 175.76 172.37 3d41 s GLU 229 N -3.76 4.02 -0.01 0.00 2.12 0.80 -4.26 118.70 117.60 3d41 s GLU 229 Ca 0.74 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.83 3d41 s GLU 229 Cb -0.28 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 3d41 s GLU 229 CO 0.41 0.01 -0.17 0.00 -0.54 0.00 0.00 175.26 174.97 3d41 s PHE 231 N -0.44 0.57 -0.24 0.00 0.40 0.16 -0.71 117.98 117.72 3d41 s PHE 231 Ca 0.06 -0.12 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 3d41 s PHE 231 Cb -0.07 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.98 3d41 s PHE 231 CO -0.00 -0.08 0.05 0.42 0.70 0.00 0.00 175.22 176.30 3d41 s ILE 232 N 0.36 4.12 0.18 0.64 1.01 -0.24 -0.65 121.20 126.62 3d41 s ILE 232 Ca -0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 3d41 s ILE 232 Cb -0.08 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3d41 s ILE 232 CO -0.00 0.35 0.41 0.00 0.00 0.00 0.00 174.94 175.70 3d41 s MET 233 N 1.59 1.28 -0.10 2.79 0.23 -0.96 -1.31 119.30 122.82 3d41 s MET 233 Ca 0.06 -1.01 -0.30 0.00 -1.03 0.00 0.00 55.69 53.41 3d41 s MET 233 Cb -0.15 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 3d41 s MET 233 CO 0.02 -0.51 1.15 0.50 -2.03 0.00 0.00 175.02 174.15 3d41 s ARG 234 N -3.92 4.34 0.12 3.16 3.52 -0.92 0.39 118.95 125.64 3d41 s ARG 234 Ca 0.13 1.58 -0.29 0.00 -0.13 0.00 0.00 55.73 57.01 3d41 s ARG 234 Cb 0.01 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.74 3d41 s ARG 234 CO -0.01 -0.48 0.94 0.20 -0.81 0.00 0.00 175.30 175.14 3d41 s GLY 235 N 1.45 2.99 -0.04 8.12 0.00 0.75 -4.67 107.32 115.91 3d41 s GLY 235 Ca 0.53 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.80 3d41 s GLY 235 CO 0.18 1.39 -0.02 -0.35 0.00 0.00 0.00 173.10 174.30 3d41 s ASP 236 N -0.13 0.84 0.62 1.64 2.15 -1.26 -4.80 116.67 115.72 3d41 s ASP 236 Ca 0.45 -0.08 0.36 0.00 0.43 0.00 0.00 52.55 53.71 3d41 s ASP 236 Cb -0.23 -0.36 2.06 0.00 -0.30 0.00 0.00 42.92 44.09 3d41 s ASP 236 CO 0.29 -0.09 2.29 -0.65 -0.17 0.00 0.00 175.17 176.84 3d41 h PRO 237 N 7.35 0.00 -0.01 4.34 0.11 -1.92 -1.23 132.00 140.64 3d41 h PRO 237 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3d41 h PRO 237 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3d41 h PRO 237 CO 0.44 0.01 -0.46 0.41 -0.21 0.00 0.00 178.00 178.19 3d41 n GLY 238 N -1.13 -0.15 3.71 -0.55 0.00 -1.26 -3.31 105.19 102.50 3d41 n GLY 238 Ca -0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3d41 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d41 s SER 239 N -2.51 6.70 0.09 1.61 0.01 -0.47 -4.97 113.70 114.16 3d41 s SER 239 Ca 0.19 2.43 -0.31 0.00 1.31 0.00 0.00 55.95 59.57 3d41 s SER 239 Cb 0.18 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 3d41 s SER 239 CO 0.58 -0.77 1.24 -0.62 0.41 0.00 0.00 173.24 174.08 3d41 s ASP 240 N 1.49 7.02 -0.12 2.44 -1.08 -1.26 -4.94 116.67 120.22 3d41 s ASP 240 Ca 0.68 2.11 0.15 0.00 -0.52 0.00 0.00 52.55 54.98 3d41 s ASP 240 Cb -0.39 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 38.84 3d41 s ASP 240 CO 0.30 -0.50 1.26 0.18 0.52 0.00 0.00 175.17 176.93 3d41 n LEU 241 N 3.73 3.00 0.06 -1.34 4.77 -1.26 -4.71 117.00 121.25 3d41 n LEU 241 Ca 0.09 -2.82 0.13 0.00 -0.03 0.00 0.00 56.01 53.38 3d41 n LEU 241 Cb 0.45 -0.41 0.61 0.00 -2.33 0.00 0.00 43.42 41.74 3d41 n LEU 241 CO 0.56 0.67 1.15 -0.33 -1.33 0.00 0.00 177.39 178.12 3d41 h GLU 242 N 0.95 0.13 0.00 3.23 4.39 -1.92 -0.70 114.58 120.67 3d41 h GLU 242 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3d41 h GLU 242 Cb 1.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3d41 h GLU 242 CO 0.09 0.09 0.00 0.27 -1.16 0.00 0.00 179.01 178.30 3d41 h PHE 243 N 0.14 0.00 0.00 4.33 -5.15 -1.97 -2.73 116.94 111.55 3d41 h PHE 243 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 3d41 h PHE 243 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.68 3d41 h PHE 243 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3d41 n LEU 244 N -2.47 0.00 -0.52 2.10 4.77 -0.27 -1.10 117.00 119.50 3d41 n LEU 244 Ca -0.01 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 3d41 n LEU 244 Cb 0.12 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3d41 n LEU 244 CO 0.16 -0.07 0.41 0.35 -1.33 0.00 0.00 177.39 176.91 3d41 n THR 245 N -1.16 0.00 -4.01 -5.08 -2.24 -1.03 -4.92 114.28 95.85 3d41 n THR 245 Ca 0.10 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 3d41 n THR 245 Cb 0.10 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 3d41 n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d41 s ALA 246 N -2.41 3.76 0.34 6.98 0.00 -0.26 -4.53 121.76 125.64 3d41 s ALA 246 Ca 0.21 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 3d41 s ALA 246 Cb 0.19 -1.58 -0.12 0.00 0.00 0.00 0.00 23.12 21.60 3d41 s ALA 246 CO 0.52 0.60 1.17 -2.30 0.00 0.00 0.00 175.76 175.75 3d41 n PRO 247 N -0.19 1.78 0.08 0.00 -0.02 -1.26 -4.79 135.00 130.59 3d41 n PRO 247 Ca -0.07 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3d41 n PRO 247 Cb 0.53 -2.14 0.61 0.00 -0.02 0.00 0.00 33.50 32.48 3d41 n PRO 247 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d41 h PHE 248 N 2.23 0.14 -0.72 6.00 3.57 -1.72 -0.44 116.94 126.00 3d41 h PHE 248 Ca -0.44 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.13 3d41 h PHE 248 Cb 1.31 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3d41 h PHE 248 CO 0.49 0.07 0.48 0.77 -2.23 0.00 0.00 178.31 177.89 3d41 h SER 249 N 0.14 0.64 -1.15 0.41 0.02 -1.48 -3.03 113.55 109.11 3d41 h SER 249 Ca 0.15 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.46 3d41 h SER 249 Cb 0.43 -0.13 -0.34 0.00 0.14 0.00 0.00 62.40 62.50 3d41 h SER 249 CO -0.02 0.41 0.21 -1.54 -1.14 0.00 0.00 176.83 174.75 3d41 n SER 250 N -4.48 6.50 -4.83 3.07 3.41 -0.18 -4.98 113.62 112.13 3d41 n SER 250 Ca 0.11 -3.78 -0.38 0.00 -0.26 0.00 0.00 58.87 54.56 3d41 n SER 250 Cb 0.25 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 3d41 n SER 250 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3d41 s TRP 251 N -3.77 3.75 1.28 7.33 0.52 -1.15 -4.81 118.94 122.09 3d41 s TRP 251 Ca 0.57 1.12 -0.17 0.00 0.02 0.00 0.00 56.10 57.64 3d41 s TRP 251 Cb 0.46 -2.38 0.32 0.00 -1.15 0.00 0.00 33.47 30.71 3d41 s TRP 251 CO -0.08 0.60 0.90 -0.35 0.02 0.00 0.00 176.95 178.03 3d41 n PRO 252 N 1.65 -3.28 -2.29 4.98 -0.04 -1.26 -4.94 135.00 129.82 3d41 n PRO 252 Ca -0.11 -0.95 -0.34 0.00 -0.04 0.00 0.00 63.50 62.06 3d41 n PRO 252 Cb 0.52 -2.05 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 3d41 n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d41 s ALA 253 N -2.29 2.77 -1.58 0.55 0.00 -1.26 -3.95 121.76 116.00 3d41 s ALA 253 Ca 0.67 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3d41 s ALA 253 Cb -0.21 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3d41 s ALA 253 CO 0.63 -0.62 0.00 0.72 0.00 0.00 0.00 175.76 176.49 3d41 n HIS 254 N -1.42 -1.08 -2.85 0.00 8.25 -1.26 -4.94 115.22 111.92 3d41 n HIS 254 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3d41 n HIS 254 Cb 0.52 -3.57 -0.04 0.00 1.12 0.00 0.00 29.99 28.02 3d41 n HIS 254 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d41 s VAL 255 N -2.89 4.73 -0.17 1.59 1.01 -1.25 -5.04 120.40 118.38 3d41 s VAL 255 Ca 0.00 1.41 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 3d41 s VAL 255 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3d41 s VAL 255 CO 0.00 -0.27 0.68 -0.13 0.00 0.00 0.00 175.10 175.38 3d41 s ARG 256 N 3.11 4.27 0.12 2.72 0.52 -1.26 -5.05 118.95 123.38 3d41 s ARG 256 Ca 0.36 0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 56.14 3d41 s ARG 256 Cb -0.14 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.82 3d41 s ARG 256 CO 0.12 -0.19 0.45 -1.54 0.02 0.00 0.00 175.30 174.15 3d41 s SER 257 N 1.10 -0.32 -0.22 0.23 1.04 -1.17 -4.44 113.70 109.92 3d41 s SER 257 Ca 0.32 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.49 3d41 s SER 257 Cb -0.16 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 3d41 s SER 257 CO 0.12 -0.85 0.04 -0.89 0.98 0.00 0.00 173.24 172.63 3d41 s THR 258 N -3.61 4.20 -0.11 2.02 2.01 -0.43 -4.49 115.64 115.24 3d41 s THR 258 Ca 0.01 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 3d41 s THR 258 Cb 0.01 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3d41 s THR 258 CO -0.11 0.39 0.01 -0.60 -0.69 0.00 0.00 174.62 173.63 3d41 s ARG 259 N 1.18 3.25 -0.15 4.92 3.52 -0.24 -1.08 118.95 130.35 3d41 s ARG 259 Ca 0.04 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.24 3d41 s ARG 259 Cb -0.14 -2.90 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 3d41 s ARG 259 CO 0.02 0.58 -0.08 0.42 -0.81 0.00 0.00 175.30 175.44 3d41 s ILE 260 N -0.54 1.24 0.07 4.11 1.01 0.12 0.14 121.20 127.35 3d41 s ILE 260 Ca 0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3d41 s ILE 260 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3d41 s ILE 260 CO 0.02 0.26 0.00 0.42 0.00 0.00 0.00 174.94 175.65 3d41 s THR 261 N 1.60 0.18 -0.82 2.92 -4.23 -0.73 -2.32 115.64 112.25 3d41 s THR 261 Ca 0.02 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.63 3d41 s THR 261 Cb -0.14 -1.66 0.21 0.00 1.34 0.00 0.00 72.50 72.25 3d41 s THR 261 CO -0.08 -0.84 0.73 0.28 -0.54 0.00 0.00 174.62 174.17 3d41 s THR 262 N -3.95 5.06 0.00 3.99 -1.32 -1.25 0.03 115.64 118.20 3d41 s THR 262 Ca 0.12 -2.85 0.00 0.00 -1.21 0.00 0.00 61.69 57.74 3d41 s THR 262 Cb 0.08 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 3d41 s THR 262 CO -0.07 -1.02 0.00 0.35 -2.21 0.00 0.00 174.62 171.68